3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide

C28H30ClF3N4O5 — CID 140509976

IUPAC3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide
SMILESC[C@@H]1OC(=O)N[C@@H]1c1nc(-c2ccc(C[C@@H](CCO)NC(=O)c3ccc(O[C@H](C)C(F)(F)F)c(Cl)c3)cc2)cn1C
InChIInChI=1S/C28H30ClF3N4O5/c1-15-24(35-27(39)40-15)25-34-22(14-36(25)3)18-6-4-17(5-7-18)12-20(10-11-37)33-26(38)19-8-9-23(21(29)13-19)41-16(2)28(30,31)32/h4-9,13-16,20,24,37H,10-12H2,1-3H3,(H,33,38)(H,35,39)/t15-,16+,20+,24-/m0/s1
InChIKeyFONLTCMBBPSLRH-JCRNEGGVSA-N
MW595.02 g/mol
LogP4.96
Rot. Bonds10

About 3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide

3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide (PubChem CID 140509976) has the molecular formula C28H30ClF3N4O5 and a molecular weight of 595.02 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide
PubChem CID140509976
Molecular FormulaC28H30ClF3N4O5
Molecular Weight595.02 g/mol
Exact Mass594.19
IUPAC Name3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide
SMILESC[C@@H]1OC(=O)N[C@@H]1c1nc(-c2ccc(C[C@@H](CCO)NC(=O)c3ccc(O[C@H](C)C(F)(F)F)c(Cl)c3)cc2)cn1C
InChIInChI=1S/C28H30ClF3N4O5/c1-15-24(35-27(39)40-15)25-34-22(14-36(25)3)18-6-4-17(5-7-18)12-20(10-11-37)33-26(38)19-8-9-23(21(29)13-19)41-16(2)28(30,31)32/h4-9,13-16,20,24,37H,10-12H2,1-3H3,(H,33,38)(H,35,39)/t15-,16+,20+,24-/m0/s1
InChIKeyFONLTCMBBPSLRH-JCRNEGGVSA-N
XLogP4.96
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.02
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide with MolForge

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Related Compounds

N-[(2S)-1-[4-[2-[(1R)-1-acetamido-2-hydroxyethyl]-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 23629894
3-chloro-N-[4-hydroxy-1-[4-[1-methyl-2-[(1R)-1-(2-oxopyrrolidin-1-yl)ethyl]imidazol-4-yl]phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 69042746
N-[1-[4-[2-[(1S)-1-acetamidoethyl]-1-ethylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 69046098
N-[1-[4-[2-(1-aminoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 70973511
N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 67277848
methyl N-[1-[4-[4-[2-[(3-chloro-4-propan-2-yloxybenzoyl)amino]-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate
CID 68651856
3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[1-(sulfonylamino)ethyl]imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 89090892
N-[(2S)-1-[4-[2-[(1R,2S)-1-acetamido-2-hydroxypropyl]-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 23630050
N-[(1R)-1-[4-[4-[(2S)-2-[(3-chloro-4-propan-2-yloxybenzoyl)amino]-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]furan-2-carboxamide
CID 68559102
N-[(2S)-1-[4-[2-[(1R)-1-acetamido-3-amino-3-oxopropyl]-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 23630051
3-chloro-N-[(2S)-1-[4-[1-ethyl-2-[(1R)-1-formamidoethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 11497387
3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 11699157

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide?
The IUPAC name of 3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide (CID 140509976) is 3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide.
What is the SMILES notation for 3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide?
The canonical SMILES for 3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide is C[C@@H]1OC(=O)N[C@@H]1c1nc(-c2ccc(C[C@@H](CCO)NC(=O)c3ccc(O[C@H](C)C(F)(F)F)c(Cl)c3)cc2)cn1C.
What is the InChIKey of 3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide?
The InChIKey is FONLTCMBBPSLRH-JCRNEGGVSA-N. The full InChI is InChI=1S/C28H30ClF3N4O5/c1-15-24(35-27(39)40-15)25-34-22(14-36(25)3)18-6-4-17(5-7-18)12-20(10-11-37)33-26(38)19-8-9-23(21(29)13-19)41-16(2)28(30,31)32/h4-9,13-16,20,24,37H,10-12H2,1-3H3,(H,33,38)(H,35,39)/t15-,16+,20+,24-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide?
3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide has a molecular weight of 595.02 g/mol, XLogP of 4.96, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[(4R,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]imidazol-4-yl]phenyl]butan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzamide is sourced from PubChem (CID 140509976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).